CID 4048512

2-chloro-n-(pentan-2-yl)acetamide

Structural Information

Molecular Formula

C₇H₁₄ClNO

SMILES

CCCC(C)NC(=O)CCl

InChI

InChI=1S/C7H14ClNO/c1-3-4-6(2)9-7(10)5-8/h6H,3-5H2,1-2H3,(H,9,10)

InChIKey

HPHVAPYQLXDAKA-UHFFFAOYSA-N

Compound name

2-chloro-N-pentan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 163.07639 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.08367	134.7
[M+Na]+	186.06561	144.5
[M+NH4]+	181.11021	142.6
[M+K]+	202.03955	138.9
[M-H]-	162.06911	134.4
[M+Na-2H]-	184.05106	138.1
[M]+	163.07584	136.0
[M]-	163.07694	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe